4-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]benzoate

Systemtic Name: 4-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]benzoate Openeye Name: 4-[(1-methyltetrazol-5-yl)sulfanylmethyl]benzoate CAS Name: 4-[[(1-methyl-5-tetrazolyl)thio]methyl]benzoate IUPAC Name: 4-[(1-methyltetrazol-5-yl)sulfanylmethyl]benzoate Traditional Name: 4-[[(1-methyltetrazol-5-yl)thio]methyl]benzoate Formula: C10H9N4O2S- MolecularWeight: 249.26906

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=N1)SCC2=CC=C(C=C2)C(=O)[O-]

Isomeric SMILES

CN1C(=NN=N1)SCC2=CC=C(C=C2)C(=O)[O-]

InChI

InChI=1S/C10H10N4O2S/c1-14-10(11-12-13-14)17-6-7-2-4-8(5-3-7)9(15)16/h2-5H,6H2,1H3,(H,15,16)/p-1